9-acetamido-N-(diaminomethylidene)-9H-fluorene-2-carboxamide;hydrochloride

C17H17ClN4O2 — CID 118706295

IUPAC9-acetamido-N-(diaminomethylidene)-9H-fluorene-2-carboxamide;hydrochloride
SMILESCC(=O)NC1c2ccccc2-c2ccc(C(=O)N=C(N)N)cc21.Cl
InChIInChI=1S/C17H16N4O2.ClH/c1-9(22)20-15-13-5-3-2-4-11(13)12-7-6-10(8-14(12)15)16(23)21-17(18)19;/h2-8,15H,1H3,(H,20,22)(H4,18,19,21,23);1H
InChIKeyNOSRMYMYRRFJKG-UHFFFAOYSA-N
MW344.80 g/mol
LogP1.73
Rot. Bonds2

About 9-acetamido-N-(diaminomethylidene)-9H-fluorene-2-carboxamide;hydrochloride

9-acetamido-N-(diaminomethylidene)-9H-fluorene-2-carboxamide;hydrochloride (PubChem CID 118706295) has the molecular formula C17H17ClN4O2 and a molecular weight of 344.80 g/mol. Its IUPAC name is 9-acetamido-N-(diaminomethylidene)-9H-fluorene-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name9-acetamido-N-(diaminomethylidene)-9H-fluorene-2-carboxamide;hydrochloride
PubChem CID118706295
Molecular FormulaC17H17ClN4O2
Molecular Weight344.80 g/mol
Exact Mass344.10
IUPAC Name9-acetamido-N-(diaminomethylidene)-9H-fluorene-2-carboxamide;hydrochloride
SMILESCC(=O)NC1c2ccccc2-c2ccc(C(=O)N=C(N)N)cc21.Cl
InChIInChI=1S/C17H16N4O2.ClH/c1-9(22)20-15-13-5-3-2-4-11(13)12-7-6-10(8-14(12)15)16(23)21-17(18)19;/h2-8,15H,1H3,(H,20,22)(H4,18,19,21,23);1H
InChIKeyNOSRMYMYRRFJKG-UHFFFAOYSA-N
XLogP1.73
TPSA110.57 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-acetamido-N-(diaminomethylidene)-9H-fluorene-2-carboxamide;hydrochloride?
The IUPAC name of 9-acetamido-N-(diaminomethylidene)-9H-fluorene-2-carboxamide;hydrochloride (CID 118706295) is 9-acetamido-N-(diaminomethylidene)-9H-fluorene-2-carboxamide;hydrochloride.
What is the SMILES notation for 9-acetamido-N-(diaminomethylidene)-9H-fluorene-2-carboxamide;hydrochloride?
The canonical SMILES for 9-acetamido-N-(diaminomethylidene)-9H-fluorene-2-carboxamide;hydrochloride is CC(=O)NC1c2ccccc2-c2ccc(C(=O)N=C(N)N)cc21.Cl.
What is the InChIKey of 9-acetamido-N-(diaminomethylidene)-9H-fluorene-2-carboxamide;hydrochloride?
The InChIKey is NOSRMYMYRRFJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2.ClH/c1-9(22)20-15-13-5-3-2-4-11(13)12-7-6-10(8-14(12)15)16(23)21-17(18)19;/h2-8,15H,1H3,(H,20,22)(H4,18,19,21,23);1H.
What are the key properties of 9-acetamido-N-(diaminomethylidene)-9H-fluorene-2-carboxamide;hydrochloride?
9-acetamido-N-(diaminomethylidene)-9H-fluorene-2-carboxamide;hydrochloride has a molecular weight of 344.80 g/mol, XLogP of 1.73, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-acetamido-N-(diaminomethylidene)-9H-fluorene-2-carboxamide;hydrochloride is sourced from PubChem (CID 118706295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).